4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide

C15H22BrN3O2 — CID 81464328

IUPAC4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H22BrN3O2/c1-21-14-11-12(16)3-4-13(14)15(20)18-5-2-8-19-9-6-17-7-10-19/h3-4,11,17H,2,5-10H2,1H3,(H,18,20)
InChIKeyODFDYTVMHXUSPR-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.48
Rot. Bonds6

About 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide

4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 81464328) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID81464328
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H22BrN3O2/c1-21-14-11-12(16)3-4-13(14)15(20)18-5-2-8-19-9-6-17-7-10-19/h3-4,11,17H,2,5-10H2,1H3,(H,18,20)
InChIKeyODFDYTVMHXUSPR-UHFFFAOYSA-N
XLogP1.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392447
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390862
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 122080182
2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394311
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzamide
CID 78994367
4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
CID 107300567
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119393671

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide (CID 81464328) is 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide is COc1cc(Br)ccc1C(=O)NCCCN1CCNCC1.
What is the InChIKey of 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is ODFDYTVMHXUSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-21-14-11-12(16)3-4-13(14)15(20)18-5-2-8-19-9-6-17-7-10-19/h3-4,11,17H,2,5-10H2,1H3,(H,18,20).
What are the key properties of 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 356.26 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 81464328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).